Geometry & MOs

Info

ID:	264599
PubChem CID:	103474462
Reduced:	ClNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	219.081477
ΔH_f, kcal/mol:	35.26
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(3-methylbut-2-enyl)indole

Drug info:

PubChemData

Smile

C1C(C1C(=O)C2=CNC3=C2C=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations